Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SPRING-8 BEAMLINE BL32B2 |
Synchrotron site | SPring-8 |
Beamline | BL32B2 |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2003-03-04 |
Detector | RIGAKU RAXIS V |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 43.870, 71.240, 120.880 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 29.680 - 3.000 |
R-factor | 0.262 |
Rwork | 0.260 |
R-free | 0.28100 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1tvo |
Data reduction software | CrystalClear |
Data scaling software | CrystalClear |
Phasing software | AMoRE |
Refinement software | CNX |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 29.680 | 3.190 |
High resolution limit [Å] | 3.000 | 3.000 |
Rmerge | 0.135 | 0.317 |
Number of reflections | 7921 | |
<I/σ(I)> | 7.2 | 1.6 |
Redundancy | 5.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 277 | PEG 5000, AMMONIUM SULPHATE, DITHIOTHREITOL, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 277K |